N-[2-(azepan-1-ium-1-yl)ethyl]-2-(4-ethoxyphenyl)quinoline-4-carboxamide

Systemtic Name: N-[2-(azepan-1-ium-1-yl)ethyl]-2-(4-ethoxyphenyl)quinoline-4-carboxamide Openeye Name: N-[2-(azepan-1-ium-1-yl)ethyl]-2-(4-ethoxyphenyl)quinoline-4-carboxamide CAS Name: N-[2-(1-azepan-1-iumyl)ethyl]-2-(4-ethoxyphenyl)-4-quinolinecarboxamide IUPAC Name: N-[2-(azepan-1-ium-1-yl)ethyl]-2-(4-ethoxyphenyl)quinoline-4-carboxamide Traditional Name: N-[2-(azepan-1-ium-1-yl)ethyl]-2-p-phenetyl-cinchoninamide Formula: C26H32N3O2+ MolecularWeight: 418.55118

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCC[NH+]4CCCCCC4

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCC[NH+]4CCCCCC4

InChI

InChI=1S/C26H31N3O2/c1-2-31-21-13-11-20(12-14-21)25-19-23(22-9-5-6-10-24(22)28-25)26(30)27-15-18-29-16-7-3-4-8-17-29/h5-6,9-14,19H,2-4,7-8,15-18H2,1H3,(H,27,30)/p+1